CID 22245231

1-bromo-1,1-difluoropropan-2-one

Structural Information

Molecular Formula
C3H3BrF2O
SMILES
CC(=O)C(F)(F)Br
InChI
InChI=1S/C3H3BrF2O/c1-2(7)3(4,5)6/h1H3
InChIKey
QEOBPMIXVYRLKE-UHFFFAOYSA-N
Compound name
1-bromo-1,1-difluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

171.93353 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.94081 125.2
[M+Na]+ 194.92275 137.6
[M-H]- 170.92625 126.5
[M+NH4]+ 189.96735 149.0
[M+K]+ 210.89669 128.1
[M+H-H2O]+ 154.93079 125.4
[M+HCOO]- 216.93173 143.4
[M+CH3COO]- 230.94738 176.9
[M+Na-2H]- 192.90820 132.9
[M]+ 171.93298 140.9
[M]- 171.93408 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe